Ethyl 3-amino-1,9-dioxoindeno[2,1-c]pyran-4-carboxylate
Basic information
- CAS
62681-26-9- Standard SMILES
CCOC(=O)c1c(N)oc(=O)c2c1-c1ccccc1C2=O- InChIKey
MJGQZSSKISVEFC-UHFFFAOYSA-N- Molecular formula
- C15H11NO5
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.06372245
Names & identifiers
- Preferred name
- Ethyl 3-amino-1,9-dioxoindeno[2,1-c]pyran-4-carboxylate
- IUPAC
- ethyl 3-amino-1,9-dioxoindeno[2,1-c]pyran-4-carboxylate
Names & synonyms
NSC29388562681-26-9Ethyl 3-amino-1,9-dioxo-1,9-dihydroindeno[2,1-c]pyran-4-carboxylateethyl 3-amino-1,9-dioxoindeno[2,1-c]pyran-4-carboxylateCHEMBL2375679DTXSID90315296NSC-293885ethyl 3-amino-1,9-dioxo-indeno[2,1-c]pyran-4-carboxylate
Database identifiers
- CAS
62681-26-9- PubChem CID
- 325334
- DTXSID
DTXSID90315296- ChEMBL
CHEMBL2375679
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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